SCHEMBL9364428

SCHEMBL9364428

CCN(CC)CCCCCCOc1cccc(C=O)c1

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAOB P27338 7/20 0.54
MAOA P21397 4/20 0.54
BCHE P06276 3/20 0.52
ACHE P22303 3/20 0.52
KDM4E B2RXH2 1/20 0.51
TSHR P16473 1/20 0.51
SIGMAR1 Q99720 1/20 0.48

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1427372 0.90 KDM4E (0.58) MAOBMAOABCHEACHEKDM4E
SCHEMBL3445791 0.86 MAOB (0.54) MAOBMAOABCHEACHEKDM4E
SCHEMBL3444912 0.86 MAOB (0.54) MAOBMAOABCHEACHEKDM4E
SCHEMBL8374655 0.85 MAOA (0.62) MAOBMAOATSHR
SCHEMBL8716037 0.85 MAOA (0.62) MAOBMAOATSHR
SCHEMBL8374654 0.85 MAOA (0.62) MAOBMAOATSHR
SCHEMBL3445348 0.84 KDM4E (0.52) MAOBMAOABCHEACHEKDM4E
SCHEMBL8863665 0.84 TSHR (0.59) MAOBMAOATSHR
SCHEMBL10497495 0.84 TSHR (0.59) MAOBMAOATSHR
SCHEMBL584671 0.84 TSHR (0.59) MAOBMAOATSHR

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0410359-B1 Substituted aminoalkoxy-benzene-derivatives HOFFMANN LA ROCHE (CH) 1994-01-26 EP disclosed
US-5214046-A Synergistic mixtures, inhibitors of sterol biosynthesis HOFFMANN-LA ROCHE INC. (US) 1993-05-25 US disclosed
US-5106878-A Synergistic effects with other fungicides HOFFMANN-LA ROCHE INC. (US) 1992-04-21 US disclosed
EP-0410359-A1 Substituted aminoalkoxy-benzene-derivatives F. HOFFMANN-LA ROCHE AG (CH) 1991-01-30 EP disclosed